Details of the Drug

General Information of Drug (ID: DMJ0654)

Drug Name
3,7-DIHYDROXYNAPHTHALENE-2-CARBOXYLIC ACID
Synonyms
3,7-DIHYDROXY-2-NAPHTHOIC ACID; 83511-07-3; 2,6-Dihydroxy-3-Naphthoic acid; 3,7-Dihydroxy-2-naphthalenecarboxylic Acid; CHEMBL1231350; 2,6-DIOXYNAPHTHALENE-3-CARBOXYLIC ACID; PubChem9419; ACMC-209psi; AC1LEHT6; AC1Q5UP9; AC1Q72HK; SCHEMBL124773; 3,7-dihydroxy-2-naphtoic acid; KS-00000GHV; CTK3E8003; DTXSID30352988; QMWOUSYSNFCKAZ-UHFFFAOYSA-N; MolPort-001-790-958; ZINC156898; STL426758; BDBM50379183; BBL034659; ANW-37696; SBB037881; AKOS015856275; VZ22995; MCULE-9133006477; CD-1291
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 204.18
Logarithm of the Partition Coefficient (xlogp) 2.5
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C11H8O4
IUPAC Name
3,7-dihydroxynaphthalene-2-carboxylic acid
Canonical SMILES
C1=CC(=CC2=CC(=C(C=C21)O)C(=O)O)O
InChI
InChI=1S/C11H8O4/c12-8-2-1-6-5-10(13)9(11(14)15)4-7(6)3-8/h1-5,12-13H,(H,14,15)
InChIKey
QMWOUSYSNFCKAZ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
736299
CAS Number
83511-07-3
DrugBank ID
DB04641
TTD ID
D01PLP

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
L-lactate dehydrogenase (LDH) TTAZHU0 LDHA_HUMAN ; LDHB_HUMAN ; LDHC_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-41.